bands2xmgr
Utility for visualizing SIESTA bands and density-of-states results.
The function bands2xmgr reads “systemlabel.bands” and “systemlabel.DOS” of SIESTA and writes “systemlabel.agr” for XMGR/GRACE and (optionally) an eps file “systemlabel.eps”.
- Usage :
bands2xmgr systemlabel [flags]
where the optional keyword flags are:
- -S
: Sort E(k) for smoother band lines,
- -O
: Output (sorted) band structure to specified file ,
- -R
: Sort in reverse order,
- -fs
: Set the flip sensitivity factor (0.<fs<=1.) where fs=1 corresponds to maximum sensitivity (many band flips),
- -f
: Set first band index in the sorting,
- -l
: Set last band index in the sorting.
- -P
: Print eps file